ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate

Base Information

• Chemical Name: ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate
• CAS No.: 121195-03-7
• Molecular Formula: C10H10 N2 O2 S
• Molecular Weight: 222.26
• Hs Code.: 2934999090
• European Community (EC) Number: 639-282-0
• DSSTox Substance ID: DTXSID60371389
• Nikkaji Number: J2.243.176E
• Wikidata: Q72508912
• ChEMBL ID: CHEMBL1412959
• Mol file: 121195-03-7.mol

Synonyms:121195-03-7;ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate;ethyl 5-(2-thienyl)pyrazole-3-carboxylate;ethyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate;ethyl 5-(thiophen-2-yl)-1H-pyrazole-3-carboxylate;ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate;1H-Pyrazole-3-carboxylic acid, 5-(2-thienyl)-, ethyl ester;Maybridge1_008811;MLS000833954;SCHEMBL594734;CHEMBL1412959;HMS566I11;DTXSID60371389;NTCRDZSJYGZRIE-UHFFFAOYSA-N;HMS2803A09;MFCD00099767;MFCD07772880;STL069473;TD8032;AKOS005111419;AKOS015912139;CS-W014712;PS-3559;AC-28059;SMR000461473;SY018884;TS-00527;Ethyl 3-(2-thienyl)pyrazole-5-carboxylate;Ethyl 3-(thien-2-yl)pyrazole-5-carboxylate;FT-0625984;Ethyl5-thien-2-yl-1H-pyrazole-3-carboxylate;EN300-745999;A853788;J-521158;1H-Pyrazole-3-carboxylicacid,5-(2-thienyl)-,ethyl ester;3-(2-Thienyl)-1H-pyrazole-5-carboxylic acid ethyl ester;3-Thiophen-2-yl-1H-pyrazole-5-carboxylic acid ethyl ester;5-Thiophen-2-yl-2H-pyrazole-3-carboxylic acid ethyl ester;5-(Thiophen-2-yl)-1H-pyrazole-3-carboxylic acid ethyl ester

Chemical Property of ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.34E-07mmHg at 25°C
• Melting Point: 138-140°C
• Boiling Point: 430°Cat760mmHg
• Flash Point: 213.9°C
• PSA: 83.22000
• Density: 1.306g/cm³
• LogP: 2.31490
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.04629874
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-thien-2-yl-1H-pyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NNC(=C1)C2=CC=CS2

Technology Process of ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate

There total 6 articles about ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

(Z)-1,1,1-Trichloro-4-methoxy-4-thiophen-2-yl-but-3-en-2-one + ethanol (64-17-5) → ethyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate (121195-03-7)

Guidance literature:

With hydrazine hydrate; for 2h;

DOI:10.1055/s-2005-872140

Reference yield: 89.0%

3-thiophen-2-yl-5-trichloromethyl-1H-pyrazole (871239-84-8) + ethanol (64-17-5) → ethyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate (121195-03-7)

Guidance literature:

With hydrogenchloride; at 35 ℃; for 2h;

DOI:10.1055/s-2005-872140

Reference yield:

ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate (36983-36-5) → ethyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate (121195-03-7)

Guidance literature:

With hydrazine dihydrochloride; In ethanol; for 3h; Reflux;

DOI:10.1055/s-0036-1591908

upstream raw materials:

ethanol

3-thiophen-2-yl-5-trichloromethyl-1H-pyrazole

ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate

2-Acetylthiophene